SCHEMBL31072802

SCHEMBL31072802

COC(=O)C(C)(C)Oc1cccc(Cn2c(C)nc3cc(C(=O)N[C@@H](C)c4ccc(C(C)(C)C)cc4)ccc32)c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.65
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31072822 0.93 PPARG (0.58) PPARG
SCHEMBL31072810 0.93 PPARG (0.74) PPARG
SCHEMBL29342752 0.93 PPARG (0.65) PPARG
SCHEMBL29342753 0.87 PPARG (0.67) PPARG
SCHEMBL31072870 0.86 PPARG (0.65) PPARG
SCHEMBL29342371 0.86 PPARG (0.65) PPARG
SCHEMBL31072835 0.86 PPARG (0.62) PPARGALDH1A1POLBGAAHTT
SCHEMBL14122210 0.85 PPARG (0.87) PPARG
SCHEMBL14122206 0.85 PPARG (0.87) PPARG
SCHEMBL8022871 0.84 PPARG (0.64) PPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4648762-A2 PPARG MODULATORS University of Florida Research Foundation, Incorporated (US) 2025-11-19 EP disclosed
WO-2024151519-A2 PPARG MODULATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATIN, INCORPORATED (US) 2024-07-18 WO disclosed